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Cite This: Inorg. Chem. XXXX, XXX, XXX−XXX
Control of Structures and Emission Properties of (CuI)n 2‑Methyldithiane Coordination Polymers Adrien Schlachter,† Lydie Viau,*,‡ Daniel Fortin,† Lena Knauer,§ Carsten Strohmann,§ Michael Knorr,*,‡ and Pierre D. Harvey*,† †
Département de Chimie, Université de Sherbrooke, Sherbrooke, Québec, Canada J1K 2R1 Institut UTINAM UMR CNRS 6213, Université Bourgogne Franche-Comté, 25030 Besançon, France § Anorganische Chemie, Technische Universität Dortmund, Otto-Hahn-Strasse 6, 44227 Dortmund, Germany ‡
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S Supporting Information *
ABSTRACT: A structurally unique and strongly luminescent nonporous 3D coordination polymer (CP) [Cu8I8(methyldithiane)4]n, CP3, has been prepared in a quasi-anticipated manner from 2-methyl-1,3-dithiane, L1, and CuI. This CP incorporates an unprecedented Cu8I8 cluster built upon two side-fused open cubanes. The crystal structure of CP3 has been determined at 100, 150, 200, 250, 300, 350, and 400 K to study the temperature dependence of the Cu···Cu distances. Two other topological 1D and 2D CPs isomers of formula [{Cu2I2}(L1)2]n featuring dinuclear {Cu2(μ2-I)2} rhomboids were also obtained independently by control of the reaction conditions. These two CPs convert into CP3 in hot PrCN, thus indicating that this latter material is the thermodynamic product. While CP1 and CP2 are not emissive, CP3 exhibits an intense luminescence due to the incorporation of the octanuclear Cu8I8 clusters as secondary building units within the network. The photophysical properties of CP3 have been investigated and rationalized by means of DFT and TDDFT computing. Furthermore, the thermal stability of these materials has been studied by ATG and DSC analyses. The Raman spectra of CP1-3 have been recorded in the solid state in the 50−500 cm−1 region.
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INTRODUCTION The design of coordination polymers with a predictable secondary building unit (SBU) and dimensionality is a quasiimpossible task, but the quest remains of great interest for the discovery of new materials with desired properties such as gas adsorption,1−9 sensing,10−15 thermo-chromism,16−19 magnetism,20−24 conductivity,25−28 redox-activity,29,30 catalysis,13,31−33 nonlinear optical behavior,34,35 and luminescence.8,36−40 Recent reviews on CPs formed by mono- and dithioethers with CuX salts (X = Cl, Br, I)41−47 revealed that, when X = I, the SBU had a strong tendency to form closed cubanes (Cu4I4) and 1D staircase polymeric structures, whereas the rhomboid Cu2X2S4 SBU is predominately noted when X = Cl or Br. The key property is that the cubanes show luminescence regardless of the ligand, whereas the rhomboids and staircase motifs are almost always weakly or not emissive.41,44,45 Also, the presence of 2D and 3D CPs increases drastically when semirigid or rigid dithioethers are used as assembling ligands.41,44,45 The interest in 2D and 3D CPs stems from the possibility to form MOF-like materials.48 On the basis of these statistics, one can expect to form emissive cubane-containing 2D or 3D CPs when using X = I and L = rigid dithioethers. This hypothesis was recently tested by one of us by reacting CuI with trans-Pt(PMe3)2 (CCC6H4SMe)2, [Pt], leading to a porous emissive 2D CP, © XXXX American Chemical Society
(Cu4I4([Pt]))n, where the SBU is a staircase tetramer (i.e., completely open cubane).49,50 The CP exhibits a grid structure with small guests in the cavities (MeOH, MeCN, CO2...). These reviews41,44,45 also indicated the particularly rare occurrence of Cu8I8 clusters called fused dicubanes which account for 160 °C leads to decomposition, with the formation of γ-CuI. We are currently investigating the coordination chemistry of L1 vis-àvis CuBr and CuCl and the possibility to build up luminescent material with dithiane itself and other 2-substituted dithiane derivatives.
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The authors declare no competing financial interest.
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ACKNOWLEDGMENTS This work was supported by the Natural Sciences and Engineering Research Council of Canada, the Fonds de Recherche du Québec-Nature et Technologies, Compute Canada and Calcul Québec, the Centre Quebecois sur les Matériaux Fonctionnels, and the CNRS.
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The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.inorgchem.8b02168. Summary of X-ray data collection and refinement of CP1, CP2, and CP3, temperature-dependent bond J
DOI: 10.1021/acs.inorgchem.8b02168 Inorg. Chem. XXXX, XXX, XXX−XXX
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Inorganic Chemistry
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DOI: 10.1021/acs.inorgchem.8b02168 Inorg. Chem. XXXX, XXX, XXX−XXX
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DOI: 10.1021/acs.inorgchem.8b02168 Inorg. Chem. XXXX, XXX, XXX−XXX
